3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide

C17H17N3O2 — CID 143018767

IUPAC3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide
SMILESNC(=O)CCc1ccc2c(c1)ncn2Cc1ccc(O)cc1
InChIInChI=1S/C17H17N3O2/c18-17(22)8-4-12-3-7-16-15(9-12)19-11-20(16)10-13-1-5-14(21)6-2-13/h1-3,5-7,9,11,21H,4,8,10H2,(H2,18,22)
InChIKeyBYINWEMXGGDZEW-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.21
Rot. Bonds5

About 3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide

3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide (PubChem CID 143018767) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide.

Molecular Properties

Compound Name3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide
PubChem CID143018767
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide
SMILESNC(=O)CCc1ccc2c(c1)ncn2Cc1ccc(O)cc1
InChIInChI=1S/C17H17N3O2/c18-17(22)8-4-12-3-7-16-15(9-12)19-11-20(16)10-13-1-5-14(21)6-2-13/h1-3,5-7,9,11,21H,4,8,10H2,(H2,18,22)
InChIKeyBYINWEMXGGDZEW-UHFFFAOYSA-N
XLogP2.21
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
4-[2-(5-fluorobenzimidazol-1-yl)ethyl]phenol;hydrochloride
CID 168868332
1-[(4-ethylphenyl)methyl]benzimidazol-5-amine
CID 106900793
1-[(4-boronophenyl)methyl]benzimidazole-5-carboxylic acid
CID 155710935
CID 174071306
CID 174071306
N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide
CID 71502389
1-[(4-fluorophenyl)methyl]benzimidazol-5-amine;trihydrochloride
CID 76853822
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
1-benzylbenzimidazol-5-amine;trihydrochloride
CID 53422372
1-[(4-chlorophenyl)methyl]-5-methylbenzimidazole
CID 59172203
4-(benzimidazol-1-ylmethyl)benzenecarboximidamide
CID 24694539
1-benzyl-5-methylbenzimidazole
CID 12620837

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide?
The IUPAC name of 3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide (CID 143018767) is 3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide.
What is the SMILES notation for 3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide?
The canonical SMILES for 3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide is NC(=O)CCc1ccc2c(c1)ncn2Cc1ccc(O)cc1.
What is the InChIKey of 3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide?
The InChIKey is BYINWEMXGGDZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c18-17(22)8-4-12-3-7-16-15(9-12)19-11-20(16)10-13-1-5-14(21)6-2-13/h1-3,5-7,9,11,21H,4,8,10H2,(H2,18,22).
What are the key properties of 3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide?
3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide has a molecular weight of 295.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-hydroxyphenyl)methyl]benzimidazol-5-yl]propanamide is sourced from PubChem (CID 143018767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).